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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3DDU | ic50 = 40 nM | 552 | C19 H17 Cl F N3 O3 | c1cc(ccc1C.... |
2 | 1E8N | - | BE2 GLY PHE GLY PRO PHE GLY PHE ALA | n/a | n/a |
3 | 1O6G | - | GLY SIN PRO | n/a | n/a |
4 | 1E8M | - | P0H | C15 H18 N2 O5 | c1ccc(cc1).... |
5 | 3EQ9 | ic50 = 41 nM | X97 | C28 H32 N4 O4 | c1ccc(cc1).... |
6 | 1UOP | - | GLY PHE GLU PRO | n/a | n/a |
7 | 1O6F | - | GLY SIN PRO | n/a | n/a |
8 | 1UOQ | - | GLU PHE SER PRO | n/a | n/a |
9 | 1UOO | Kd = 0.29 uM | GLY PHE ARG PRO | n/a | n/a |
10 | 4BCD | ic50 = 0.033 uM | TDV | C27 H30 F N5 O2 | c1ccc(cc1).... |
11 | 1H2Z | - | GLY SIN PRO | n/a | n/a |
12 | 1QFM | - | SGL | C3 H8 O3 S | C([C@H](CS.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3IVM | - | ZPR | C18 H22 N2 O4 | c1ccc(cc1).... |
2 | 3IUQ | - | ZPR | C18 H22 N2 O4 | c1ccc(cc1).... |
3 | 2BKL | - | ZAH | C16 H20 N2 O5 | C[C@@H](C(.... |
4 | 3DDU | ic50 = 40 nM | 552 | C19 H17 Cl F N3 O3 | c1cc(ccc1C.... |
5 | 1E8N | - | BE2 GLY PHE GLY PRO PHE GLY PHE ALA | n/a | n/a |
6 | 1O6G | - | GLY SIN PRO | n/a | n/a |
7 | 1E8M | - | P0H | C15 H18 N2 O5 | c1ccc(cc1).... |
8 | 3EQ9 | ic50 = 41 nM | X97 | C28 H32 N4 O4 | c1ccc(cc1).... |
9 | 1UOP | - | GLY PHE GLU PRO | n/a | n/a |
10 | 1O6F | - | GLY SIN PRO | n/a | n/a |
11 | 1UOQ | - | GLU PHE SER PRO | n/a | n/a |
12 | 1UOO | Kd = 0.29 uM | GLY PHE ARG PRO | n/a | n/a |
13 | 4BCD | ic50 = 0.033 uM | TDV | C27 H30 F N5 O2 | c1ccc(cc1).... |
14 | 1H2Z | - | GLY SIN PRO | n/a | n/a |
15 | 1QFM | - | SGL | C3 H8 O3 S | C([C@H](CS.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1SP | 0.9928 |
2 | FW5 | 0.9721 |
3 | PUT | 0.9642 |
4 | CYS | 0.9635 |
5 | DAB | 0.9569 |
6 | HSE | 0.9558 |
7 | ABA | 0.9553 |
8 | NVA | 0.9529 |
9 | GXV | 0.9528 |
10 | HCS | 0.9512 |
11 | PE9 | 0.9488 |
12 | HDA | 0.9447 |
13 | BU4 | 0.9434 |
14 | COM | 0.9430 |
15 | BMD | 0.9427 |
16 | 3GR | 0.9426 |
17 | 23W | 0.9425 |
18 | ABU | 0.9424 |
19 | ASP | 0.9421 |
20 | BXO | 0.9418 |
21 | CSS | 0.9411 |
22 | IHG | 0.9389 |
23 | BUB | 0.9386 |
24 | CHT | 0.9384 |
25 | 8X3 | 0.9383 |
26 | DSS | 0.9383 |
27 | 4HA | 0.9383 |
28 | ORN | 0.9383 |
29 | C2N | 0.9370 |
30 | DCL | 0.9358 |
31 | TAU | 0.9358 |
32 | 1KA | 0.9357 |
33 | DSN | 0.9355 |
34 | ITU | 0.9346 |
35 | AML | 0.9343 |
36 | 3BB | 0.9342 |
37 | BUA | 0.9341 |
38 | MTG | 0.9339 |
39 | MRY | 0.9335 |
40 | DTL | 0.9333 |
41 | CEJ | 0.9332 |
42 | EGD | 0.9331 |
43 | BAL | 0.9327 |
44 | OHG | 0.9325 |
45 | ETX | 0.9322 |
46 | CXL | 0.9316 |
47 | YIV | 0.9312 |
48 | O8Y | 0.9310 |
49 | AOA | 0.9309 |
50 | 9X7 | 0.9307 |
51 | 2HE | 0.9307 |
52 | HIU | 0.9306 |
53 | HSM | 0.9306 |
54 | MEU | 0.9306 |
55 | MET | 0.9302 |
56 | SAR | 0.9298 |
57 | SER | 0.9296 |
58 | EFS | 0.9291 |
59 | P7I | 0.9287 |
60 | HVQ | 0.9278 |
61 | BVC | 0.9278 |
62 | 2CO | 0.9273 |
63 | A3B | 0.9273 |
64 | ETM | 0.9272 |
65 | LER | 0.9270 |
66 | D2P | 0.9270 |
67 | SLP | 0.9269 |
68 | CYH | 0.9266 |
69 | KG7 | 0.9265 |
70 | 3PY | 0.9263 |
71 | 9SB | 0.9260 |
72 | MLI | 0.9258 |
73 | ISU | 0.9249 |
74 | 2RA | 0.9247 |
75 | XAP | 0.9245 |
76 | CRS | 0.9244 |
77 | SSN | 0.9236 |
78 | MB3 | 0.9236 |
79 | A2Q | 0.9235 |
80 | OXL | 0.9233 |
81 | DTT | 0.9228 |
82 | 2HA | 0.9228 |
83 | URA | 0.9227 |
84 | HAI | 0.9222 |
85 | MZW | 0.9220 |
86 | HE2 | 0.9216 |
87 | LEU | 0.9208 |
88 | 2KT | 0.9207 |
89 | THR | 0.9203 |
90 | DE2 | 0.9190 |
91 | NBN | 0.9183 |
92 | PRI | 0.9182 |
93 | 03W | 0.9178 |
94 | DGY | 0.9177 |
95 | OAA | 0.9174 |
96 | ASN | 0.9173 |
97 | 7CL | 0.9171 |
98 | 4SD | 0.9171 |
99 | ATQ | 0.9169 |
100 | IPH | 0.9169 |
101 | IDH | 0.9168 |
102 | POA | 0.9165 |
103 | THE | 0.9163 |
104 | HP6 | 0.9162 |
105 | 26D | 0.9160 |
106 | IVA | 0.9160 |
107 | NVI | 0.9160 |
108 | 2IM | 0.9159 |
109 | IXW | 0.9157 |
110 | LMR | 0.9157 |
111 | HGQ | 0.9157 |
112 | MZ0 | 0.9153 |
113 | OPE | 0.9152 |
114 | MLA | 0.9152 |
115 | A8C | 0.9150 |
116 | IPU | 0.9150 |
117 | MLT | 0.9146 |
118 | LEA | 0.9144 |
119 | SYN | 0.9142 |
120 | BML | 0.9137 |
121 | DTU | 0.9134 |
122 | XPO | 0.9130 |
123 | BP9 | 0.9129 |
124 | 2EZ | 0.9128 |
125 | CRN | 0.9128 |
126 | B24 | 0.9126 |
127 | MTD | 0.9118 |
128 | 9YL | 0.9117 |
129 | HUI | 0.9116 |
130 | 1DU | 0.9115 |
131 | 69O | 0.9114 |
132 | VAL | 0.9114 |
133 | 3ZQ | 0.9112 |
134 | DBB | 0.9111 |
135 | 1BP | 0.9109 |
136 | C5J | 0.9108 |
137 | MSF | 0.9104 |
138 | 284 | 0.9103 |
139 | AMC | 0.9096 |
140 | 3HL | 0.9095 |
141 | BVG | 0.9094 |
142 | 24T | 0.9093 |
143 | SIN | 0.9092 |
144 | GAG | 0.9091 |
145 | 7VD | 0.9090 |
146 | MPD | 0.9090 |
147 | ABN | 0.9090 |
148 | PYR | 0.9087 |
149 | LAC | 0.9086 |
150 | DMG | 0.9085 |
151 | DXX | 0.9084 |
152 | BTL | 0.9083 |
153 | APY | 0.9081 |
154 | 40O | 0.9078 |
155 | PYJ | 0.9077 |
156 | 2EH | 0.9076 |
157 | DUC | 0.9075 |
158 | COI | 0.9073 |
159 | FPI | 0.9066 |
160 | ILE | 0.9063 |
161 | 7WG | 0.9061 |
162 | HZP | 0.9061 |
163 | NLE | 0.9054 |
164 | C2A | 0.9053 |
165 | R3W | 0.9052 |
166 | OKG | 0.9049 |
167 | 5BR | 0.9047 |
168 | FCN | 0.9046 |
169 | FUM | 0.9045 |
170 | VKC | 0.9040 |
171 | 49F | 0.9040 |
172 | O7U | 0.9038 |
173 | 3CL | 0.9037 |
174 | 266 | 0.9037 |
175 | FJO | 0.9034 |
176 | HBX | 0.9033 |
177 | E60 | 0.9030 |
178 | VX | 0.9029 |
179 | DZZ | 0.9028 |
180 | S0H | 0.9027 |
181 | 51F | 0.9020 |
182 | PRO | 0.9020 |
183 | AAE | 0.9019 |
184 | HBA | 0.9019 |
185 | 3OH | 0.9016 |
186 | VAH | 0.9016 |
187 | SMB | 0.9015 |
188 | 9CL | 0.9014 |
189 | 39J | 0.9013 |
190 | 3HR | 0.9013 |
191 | HBS | 0.9013 |
192 | PY7 | 0.9009 |
193 | PPI | 0.9007 |
194 | A20 | 0.9005 |
195 | 1DH | 0.9004 |
196 | DAV | 0.9004 |
197 | GLY | 0.9004 |
198 | PAE | 0.9003 |
199 | L60 | 0.9003 |
200 | 285 | 0.8998 |
201 | PCA | 0.8998 |
202 | MMU | 0.8996 |
203 | H3M | 0.8996 |
204 | HPY | 0.8996 |
205 | GLY ALA | 0.8992 |
206 | 4CH | 0.8990 |
207 | 25T | 0.8986 |
208 | P2D | 0.8986 |
209 | BAE | 0.8984 |
210 | PEA | 0.8983 |
211 | MSE | 0.8982 |
212 | DCY | 0.8981 |
213 | 98J | 0.8978 |
214 | HV2 | 0.8978 |
215 | TZE | 0.8975 |
216 | 2PC | 0.8975 |
217 | KIV | 0.8968 |
218 | TZC | 0.8964 |
219 | CP | 0.8962 |
220 | PG0 | 0.8962 |
221 | PG3 | 0.8962 |
222 | XRG | 0.8961 |
223 | MAE | 0.8959 |
224 | FAH | 0.8958 |
225 | 278 | 0.8953 |
226 | MLM | 0.8949 |
227 | R2B | 0.8946 |
228 | 40E | 0.8945 |
229 | 4VP | 0.8945 |
230 | F3V | 0.8939 |
231 | 4H2 | 0.8937 |
232 | 1MR | 0.8936 |
233 | TAR | 0.8932 |
234 | RSO | 0.8931 |
235 | HX2 | 0.8925 |
236 | 4MV | 0.8924 |
237 | 5AC | 0.8923 |
238 | URF | 0.8923 |
239 | DPF | 0.8923 |
240 | R1X | 0.8922 |
241 | HY1 | 0.8922 |
242 | 13D | 0.8922 |
243 | CIZ | 0.8920 |
244 | NMG | 0.8918 |
245 | PGA | 0.8918 |
246 | 4JU | 0.8917 |
247 | BBU | 0.8913 |
248 | TP5 | 0.8913 |
249 | HTX | 0.8910 |
250 | C21 | 0.8909 |
251 | RCO | 0.8909 |
252 | PYF | 0.8909 |
253 | KMT | 0.8907 |
254 | SAT | 0.8906 |
255 | NAK | 0.8906 |
256 | 2MH | 0.8904 |
257 | TB6 | 0.8904 |
258 | OXD | 0.8903 |
259 | M3T | 0.8901 |
260 | 280 | 0.8898 |
261 | PEL | 0.8897 |
262 | 16D | 0.8894 |
263 | ITN | 0.8894 |
264 | URP | 0.8892 |
265 | 9A7 | 0.8892 |
266 | 93B | 0.8892 |
267 | CXF | 0.8891 |
268 | IOM | 0.8890 |
269 | UYA | 0.8888 |
270 | TEO | 0.8888 |
271 | PYC | 0.8885 |
272 | FOA | 0.8883 |
273 | 3CH | 0.8881 |
274 | 3SS | 0.8880 |
275 | UGC | 0.8880 |
276 | 273 | 0.8879 |
277 | FAN | 0.8874 |
278 | GBD | 0.8872 |
279 | WBU | 0.8871 |
280 | BXA | 0.8871 |
281 | DAS | 0.8871 |
282 | TZZ | 0.8869 |
283 | BVF | 0.8868 |
284 | 9A4 | 0.8868 |
285 | TFB | 0.8866 |
286 | CIG | 0.8863 |
287 | 6NA | 0.8861 |
288 | PXO | 0.8859 |
289 | ODV | 0.8858 |
290 | 282 | 0.8857 |
291 | JZ5 | 0.8854 |
292 | TZL | 0.8854 |
293 | 2RH | 0.8852 |
294 | 271 | 0.8848 |
295 | H95 | 0.8845 |
296 | B3R | 0.8843 |
297 | 1CB | 0.8839 |
298 | RP7 | 0.8838 |
299 | EDG | 0.8834 |
300 | HEW | 0.8832 |
301 | BEZ | 0.8829 |
302 | JZ7 | 0.8828 |
303 | ALO | 0.8827 |
304 | OXQ | 0.8827 |
305 | CP2 | 0.8827 |
306 | GLU | 0.8827 |
307 | LLQ | 0.8824 |
308 | LG5 | 0.8821 |
309 | CRD | 0.8821 |
310 | BHH | 0.8820 |
311 | PZA | 0.8816 |
312 | OK7 | 0.8814 |
313 | SHF | 0.8811 |
314 | 1AB | 0.8809 |
315 | PBC | 0.8809 |
316 | HY3 | 0.8809 |
317 | 286 | 0.8809 |
318 | BAM | 0.8806 |
319 | ZBT | 0.8804 |
320 | 6PC | 0.8801 |
321 | LG3 | 0.8798 |
322 | 4JM | 0.8793 |
323 | RSF | 0.8791 |
324 | PCT | 0.8790 |
325 | XLS | 0.8789 |
326 | HYN | 0.8783 |
327 | BNS | 0.8783 |
328 | FBA | 0.8781 |
329 | PRS | 0.8781 |
330 | 4JL | 0.8780 |
331 | 8GF | 0.8777 |
332 | MED | 0.8774 |
333 | C2B | 0.8770 |
334 | PAH | 0.8766 |
335 | FQI | 0.8766 |
336 | GXE | 0.8765 |
337 | CYT | 0.8765 |
338 | GLY GLY | 0.8761 |
339 | MPJ | 0.8758 |
340 | PXY | 0.8757 |
341 | LDU | 0.8755 |
342 | MLE | 0.8754 |
343 | XYL | 0.8753 |
344 | NK | 0.8752 |
345 | 4JN | 0.8752 |
346 | 4HS | 0.8749 |
347 | DPJ | 0.8749 |
348 | RBL | 0.8747 |
349 | OCT | 0.8747 |
350 | FBJ | 0.8745 |
351 | TLA | 0.8744 |
352 | HQE | 0.8735 |
353 | M6W | 0.8729 |
354 | PHB | 0.8726 |
355 | IMR | 0.8726 |
356 | M58 | 0.8725 |
357 | MBN | 0.8725 |
358 | SS2 | 0.8723 |
359 | PCR | 0.8722 |
360 | IOL | 0.8721 |
361 | NXA | 0.8719 |
362 | XBT | 0.8717 |
363 | QSC | 0.8717 |
364 | BHL | 0.8717 |
365 | 25R | 0.8716 |
366 | CEE | 0.8715 |
367 | SS1 | 0.8708 |
368 | 2DR | 0.8707 |
369 | LG4 | 0.8700 |
370 | HIO | 0.8700 |
371 | AKG | 0.8699 |
372 | MRZ | 0.8698 |
373 | GUA | 0.8696 |
374 | HYP | 0.8692 |
375 | HHQ | 0.8691 |
376 | SHO | 0.8689 |
377 | HHN | 0.8685 |
378 | TTO | 0.8679 |
379 | DGL | 0.8677 |
380 | UY7 | 0.8676 |
381 | HYA | 0.8673 |
382 | YHO | 0.8667 |
383 | EHM | 0.8664 |
384 | DA1 | 0.8664 |
385 | YCP | 0.8657 |
386 | 8CL | 0.8657 |
387 | PIH | 0.8655 |
388 | PLQ | 0.8654 |
389 | FPN | 0.8652 |
390 | JZ1 | 0.8648 |
391 | ATO | 0.8645 |
392 | 2AP | 0.8642 |
393 | HGW | 0.8640 |
394 | DYA | 0.8639 |
395 | AHR | 0.8639 |
396 | DTI | 0.8635 |
397 | 3AP | 0.8631 |
398 | WOT | 0.8628 |
399 | H8N | 0.8627 |
400 | 3MT | 0.8621 |
401 | AMT | 0.8616 |
402 | AG2 | 0.8615 |
403 | 4AP | 0.8610 |
404 | PYZ | 0.8610 |
405 | X1S | 0.8608 |
406 | 9PO | 0.8594 |
407 | MEV | 0.8592 |
408 | HRZ | 0.8592 |
409 | HVK | 0.8591 |
410 | 54D | 0.8583 |
411 | T2C | 0.8581 |
412 | 3OL | 0.8575 |
413 | ROR | 0.8574 |
414 | ES3 | 0.8567 |
415 | 13P | 0.8554 |
416 | SPA | 0.8544 |
417 | IT2 | 0.8540 |
418 | 4MZ | 0.8539 |
419 | 2HG | 0.8539 |
420 | GLL | 0.8527 |
421 | JAB | 0.8526 |
422 | LGA | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 3eq9.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |